SCHEMBL22564513

SCHEMBL22564513

CCOc1cccc(C(=O)Br)c1COc1ccn(S)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HCRTR1 O43613 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22564474 0.90 HTT (0.40) L3MBTL1KDM4EHCRTR1MRGPRX4NPSR1
SCHEMBL22564307 0.90 NPC1 (0.36) L3MBTL1MRGPRX4MAPTHTTLMNA
SCHEMBL22564148 0.89 HCRTR1 (0.39) L3MBTL1KDM4EHCRTR1RXFP1MAPT
SCHEMBL22564365 0.89 NR1H4 (0.30)
SCHEMBL22564396 0.89 KDM4E (0.37) L3MBTL1KDM4EHCRTR1NPSR1MAPT
SCHEMBL22564252 0.89 KDM4E (0.37) L3MBTL1KDM4EHCRTR1NPSR1RXFP1
SCHEMBL22564213 0.88 TSHR (0.40) L3MBTL1KDM4EMAPTLMNA
SCHEMBL22564280 0.88 HCRTR1 (0.37) L3MBTL1KDM4EHCRTR1RXFP1MAPT
SCHEMBL18504734 0.87 KDM4E (0.38) L3MBTL1KDM4EHCRTR1MRGPRX4NPSR1
SCHEMBL22564212 0.87 IRAK4 (0.36) KDM4EHCRTR1NPSR1MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed